Dibromoalumane;octane

C₈H₁₉AlBr₂ — CID 174479691

About Dibromoalumane;octane

Dibromoalumane;octane (PubChem CID 174479691) has the molecular formula C₈H₁₉AlBr₂ and a molecular weight of 302.03 g/mol. Its IUPAC name is dibromoalumane;octane.

Molecular Properties

• Compound Name: Dibromoalumane;octane
• PubChem CID: 174479691
• Molecular Formula: C₈H₁₉AlBr₂
• Molecular Weight: 302.03 g/mol
• Exact Mass: 299.97
• IUPAC Name: dibromoalumane;octane
• SMILES: Br[AlH]Br.CCCCCCCC
• InChI: InChI=1S/C8H18.Al.2BrH.H/c1-3-5-7-8-6-4-2;;;;/h3-8H2,1-2H3;;2*1H;/q;+2;;;/p-2
• InChIKey: VKTSKPRPPSSOES-UHFFFAOYSA-L
• XLogP: 4.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.03
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dibromoalumane;octane?

The IUPAC name of Dibromoalumane;octane (CID 174479691) is dibromoalumane;octane.

What is the SMILES notation for Dibromoalumane;octane?

The canonical SMILES for Dibromoalumane;octane is Br[AlH]Br.CCCCCCCC.

What is the InChIKey of Dibromoalumane;octane?

The InChIKey is VKTSKPRPPSSOES-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H18.Al.2BrH.H/c1-3-5-7-8-6-4-2;;;;/h3-8H2,1-2H3;;2*1H;/q;+2;;;/p-2.

What are the key properties of Dibromoalumane;octane?

Dibromoalumane;octane has a molecular weight of 302.03 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Dibromoalumane;octane is sourced from PubChem (CID 174479691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174479691 — identifiers, structure, computed properties (public domain)

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